CID 53713

77694-21-4

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C23CC4CC(C2)CC(C4)C3)C
InChI
InChI=1S/C17H25NO3/c1-16(2)9-13(14(19)21-16)18-15(20)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,3-9H2,1-2H3,(H,18,20)
InChIKey
CQJVJQSDDBROOJ-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 164.8
[M+Na]+ 314.172658 166.7
[M-H]- 290.176164 163.2
[M+NH4]+ 309.217263 189.1
[M+K]+ 330.146598 163.9
[M+H-H2O]+ 274.180700 158.4
[M+HCOO]- 336.181641 169.5
[M+CH3COO]- 350.197291 172.7
[M+Na-2H]- 312.158106 171.5
[M]+ 291.18289142 164.5
[M]- 291.18398858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.